2-amino-4-[(3-hydroxy-2,2-dimethylpropyl)amino]-1H-pyrimidin-6-one

C9H16N4O2 — CID 135406826

IUPAC2-amino-4-[(3-hydroxy-2,2-dimethylpropyl)amino]-1H-pyrimidin-6-one
SMILESCC(C)(CO)CNc1cc(=O)[nH]c(N)n1
InChIInChI=1S/C9H16N4O2/c1-9(2,5-14)4-11-6-3-7(15)13-8(10)12-6/h3,14H,4-5H2,1-2H3,(H4,10,11,12,13,15)
InChIKeyBJROCNCHIMQGNX-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.22
Rot. Bonds4

About 2-amino-4-[(3-hydroxy-2,2-dimethylpropyl)amino]-1H-pyrimidin-6-one

2-amino-4-[(3-hydroxy-2,2-dimethylpropyl)amino]-1H-pyrimidin-6-one (PubChem CID 135406826) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-amino-4-[(3-hydroxy-2,2-dimethylpropyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-[(3-hydroxy-2,2-dimethylpropyl)amino]-1H-pyrimidin-6-one
PubChem CID135406826
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name2-amino-4-[(3-hydroxy-2,2-dimethylpropyl)amino]-1H-pyrimidin-6-one
SMILESCC(C)(CO)CNc1cc(=O)[nH]c(N)n1
InChIInChI=1S/C9H16N4O2/c1-9(2,5-14)4-11-6-3-7(15)13-8(10)12-6/h3,14H,4-5H2,1-2H3,(H4,10,11,12,13,15)
InChIKeyBJROCNCHIMQGNX-UHFFFAOYSA-N
XLogP-0.22
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-(2,2-dimethoxyethylamino)-1H-pyrimidin-6-one
CID 136776198
4-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136987605
4-(2,2-dimethylbutylamino)-2-ethyl-1H-pyrimidin-6-one
CID 136768848
3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol
CID 115366433
4-[(4-amino-2,2-dimethylbutyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136987597
2-cyclopropyl-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
CID 136768845
4-[(5-amino-2,2-dimethylpentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136857346
3-[(5,6-diamino-2-pyridinyl)amino]-2,2-dimethylpropan-1-ol
CID 115358122
2-amino-4-[2-(4-methylphenyl)hydrazinyl]-1H-pyrimidin-6-one
CID 135512459
2-methyl-2-[[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]butanoic acid
CID 136972300
N,2,2-trimethyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
CID 137003214
2-methyl-4-[(2-methyl-2-methylsulfanylpropyl)amino]-1H-pyrimidin-6-one
CID 136977126

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(3-hydroxy-2,2-dimethylpropyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-[(3-hydroxy-2,2-dimethylpropyl)amino]-1H-pyrimidin-6-one (CID 135406826) is 2-amino-4-[(3-hydroxy-2,2-dimethylpropyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-[(3-hydroxy-2,2-dimethylpropyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-[(3-hydroxy-2,2-dimethylpropyl)amino]-1H-pyrimidin-6-one is CC(C)(CO)CNc1cc(=O)[nH]c(N)n1.
What is the InChIKey of 2-amino-4-[(3-hydroxy-2,2-dimethylpropyl)amino]-1H-pyrimidin-6-one?
The InChIKey is BJROCNCHIMQGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-9(2,5-14)4-11-6-3-7(15)13-8(10)12-6/h3,14H,4-5H2,1-2H3,(H4,10,11,12,13,15).
What are the key properties of 2-amino-4-[(3-hydroxy-2,2-dimethylpropyl)amino]-1H-pyrimidin-6-one?
2-amino-4-[(3-hydroxy-2,2-dimethylpropyl)amino]-1H-pyrimidin-6-one has a molecular weight of 212.25 g/mol, XLogP of -0.22, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(3-hydroxy-2,2-dimethylpropyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 135406826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).